5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine

C10H15N3O2S — CID 104532676

IUPAC5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C10H15N3O2S/c1-11-9-4-10(6-12-5-9)13-8-2-3-16(14,15)7-8/h4-6,8,11,13H,2-3,7H2,1H3
InChIKeyXXUGSTZCXHVCHR-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.72
Rot. Bonds3

About 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine

5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104532676) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine
PubChem CID104532676
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C10H15N3O2S/c1-11-9-4-10(6-12-5-9)13-8-2-3-16(14,15)7-8/h4-6,8,11,13H,2-3,7H2,1H3
InChIKeyXXUGSTZCXHVCHR-UHFFFAOYSA-N
XLogP0.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115656925
N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237272
5-N-(1,1-dioxothian-4-yl)-3-N-propylpyridine-3,5-diamine
CID 104533086
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109225158
N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237296
N-(3-bromo-5-methylphenyl)-1,1-dioxothiolan-3-amine
CID 104939316
N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
CID 24704399
5-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236844
3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine
CID 104534608
N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237328
1,1-dioxo-N-(2,4,5-trifluorophenyl)thiolan-3-amine
CID 55118632
5-[(1,1-dioxothiolan-3-yl)amino]isoindole-1,3-dione
CID 43197052

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine (CID 104532676) is 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is XXUGSTZCXHVCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-11-9-4-10(6-12-5-9)13-8-2-3-16(14,15)7-8/h4-6,8,11,13H,2-3,7H2,1H3.
What are the key properties of 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine?
5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 241.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104532676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).